methyl 5-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-5-oxopentanoate
Chemical Structure Depiction of
methyl 5-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-5-oxopentanoate
methyl 5-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-5-oxopentanoate
Compound characteristics
| Compound ID: | V007-0629 |
| Compound Name: | methyl 5-{4-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-methoxyphenyl]piperazin-1-yl}-5-oxopentanoate |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C26 H33 N3 O6 S |
| Salt: | not_available |
| Smiles: | COC(CCCC(N1CCN(CC1)c1cc(ccc1OC)S(N1CCc2ccccc2C1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0664 |
| logD: | 3.0664 |
| logSw: | -3.5949 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.173 |
| InChI Key: | ZFGOQNRIUSUGFN-UHFFFAOYSA-N |